./iterations/neb0_image09_iter131.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.47184518452 0.2148020729 0.494127008956} O1 1 1
14 {} {0.334852257315 0.216142749756 0.584629576853} Si1 2 1
14 {} {0.603839851171 0.299277670098 0.444436189152} Si2 3 1
8 {} {0.563009685258 0.4522651946 0.400317857519} O2 4 1
8 {} {0.326457240595 0.352316797804 0.677128864188} O3 5 1
14 {} {0.297638980534 0.514167804067 0.671151257403} Si3 6 1
14 {} {0.508497933159 0.598695679037 0.451637557372} Si4 7 1
1 {} {0.338305499573 0.0999422462315 0.676688267787} H1 8 1
1 {} {0.217721021607 0.211028621532 0.492751014269} H2 9 1
1 {} {0.65896993871 0.230452440223 0.325028411632} H3 10 1
1 {} {0.702654136946 0.307060611396 0.555985819097} H4 11 1
1 {} {0.151733575362 0.53916246326 0.657027662627} H5 12 1
1 {} {0.352264383067 0.573374043132 0.79619885316} H6 13 1
1 {} {0.322230934405 0.88690034362 0.416683144755} H7 14 1
1 {} {0.475199799894 0.677386934827 0.33054942769} H8 15 1
1 {} {0.612580224742 0.664977252565 0.535681075718} H10 16 1
8 {} {0.3710739231 0.58171201115 0.540511276308} O 17 1
1 {} {0.301211572667 0.852853035549 0.480524674115} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 0
15 6 0 0
16 6 0 0
4 1 0 0
3 2 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end